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CHEBI:210927 - Oscillapeptin G

ChEBI IDCHEBI:210927
ChEBI NameOscillapeptin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H77N9O17
Net Charge0
Average Mass1112.245
Monoisotopic Mass1111.54374
SMILESCCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C(C)O)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](O)CO)[C@@H](C)OC1=O
InChIInChI=1S/C53H77N9O17/c1-8-27(4)42-53(78)79-29(6)43(60-46(71)35(19-21-40(54)68)55-45(70)34(56-49(74)39(67)25-63)18-13-30-9-14-32(65)15-10-30)50(75)58-37(23-26(2)3)47(72)57-36-20-22-41(69)62(51(36)76)44(28(5)64)52(77)61(7)38(48(73)59-42)24-31-11-16-33(66)17-12-31/h9-12,14-17,26-29,34-39,41-44,63-67,69H,8,13,18-25H2,1-7H3,(H2,54,68)(H,55,70)(H,56,74)(H,57,72)(H,58,75)(H,59,73)(H,60,71)/t27?,28?,29-,34+,35+,36+,37+,38+,39-,41-,42+,43+,44+/m1/s1
InChIKeyQLOMTVNWPCVFDT-ZWQHHCIOSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (8984160)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oscillapeptin G (CHEBI:210927) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-8-butan-2-yl-21-hydroxy-2-(1-hydroxyethyl)-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
Manual XrefsDatabases
78438501ChemSpider